UCSF

ZINC20420039

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 15 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.50 1.36 -49.8 3 4 1 51 214.333 5
Hi High (pH 8-9.5) -0.50 3.24 -34.22 3 4 1 51 214.333 5
Hi High (pH 8-9.5) -0.50 0.99 -9.59 2 4 0 50 213.325 5
Mid Mid (pH 6-8) -0.50 3.62 -104.84 4 4 2 52 215.341 5

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )